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Compound InformationSONAR Target prediction
Name:

PENTAMIDINE ISETHIONATE

Unique Identifier:SPE01500641
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:556.399 g/mol
X log p:15.108  (online calculus)
Lipinksi Failures1
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:10
Canonical Smiles:NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1.OCCS(O)(=O)=O.OCCS(O)(=O)=O
Source:synthetic; MB-800, RP-2512
Therapeutics:antiprotozoal, inhibits nucleic acid & protein synthesis

Found: 58 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [58]
Species: 4932
Condition: SPE02300061
Replicates: 2
Raw OD Value: r im 0.8059±0.00947523
Normalized OD Score: sc h 0.8674±0.0183085
Z-Score: -5.7795±1.58435
p-Value: 0.0000015875
Z-Factor: -1.19665
Fitness Defect: 13.3534
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.03912499999999999±0.00243
Plate DMSO Control (-):0.95645±0.12882
Plate Z-Factor:0.6978
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DBLink | Rows returned: 2
8813 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
359323 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 86 | Additional Members: 5 | Rows returned: 4
LOPAC 00389 0
Prest857 0
LAT004G04 0
LAT003H02 0

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